3-(3-trifluoromethyl-phenyl)-isoxazol-5-ylamine - CAS 82360-94-9
Catalog: |
BB036801 |
Product Name: |
3-(3-trifluoromethyl-phenyl)-isoxazol-5-ylamine |
CAS: |
82360-94-9 |
Synonyms: |
3-[3-(trifluoromethyl)phenyl]-5-isoxazolamine; 3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine |
IUPAC Name: | 3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine |
Description: | 3-(3-trifluoromethyl-phenyl)-isoxazol-5-ylamine (CAS# 82360-94-9) is a useful research chemical. |
Molecular Weight: | 228.17 |
Molecular Formula: | C10H7F3N2O |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C2=NOC(=C2)N |
InChI: | InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(14)16-15-8/h1-5H,14H2 |
InChI Key: | RSEUZDISEUUYML-UHFFFAOYSA-N |
MDL: | MFCD07787059 |
LogP: | 3.52380 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2018065768-A1 | Cyano-substituted heterocycles with activity as inhibitors of usp30 | 20161005 |
EP-2352730-A2 | Biologically active amides | 20081107 |
JP-2012508238-A | Amide with biological activity | 20081107 |
TW-201028395-A | Biologically active amides | 20081107 |
US-2011230497-A1 | Biologically active amides | 20081107 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.05104734 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.05104734 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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